Information card for entry 2212621

Structure parameters

• Chemical name: 1-Methoxypyrrolidine-2,5-dione
• Formula: C5 H7 N O3
• Calculated formula: C5 H7 N O3
• SMILES: O(N1C(=O)CCC1=O)C
• Title of publication: 1-Methoxypyrrolidine-2,5-dione
• Authors of publication: Ray J. Butcher; Hijji, Yousef M.; Benjamin, Ellis
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 3
• Pages of publication: o1502 - o1503
• a: 6.6549 ± 0.0018 Å
• b: 7.553 ± 0.002 Å
• c: 12.105 ± 0.003 Å
• α: 90°
• β: 105.964 ± 0.003°
• γ: 90°
• Cell volume: 585 ± 0.3 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0371
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0942
• Weighted residual factors for all reflections included in the refinement: 0.096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes